#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k4i s ASP 13 N 0.00 6.66 0.38 4.37 1.01 0.39 -5.02 116.67 124.45 1k4i s ASP 13 Ca 0.00 1.43 -0.26 0.00 0.71 0.00 0.00 52.55 54.43 1k4i s ASP 13 Cb 0.00 -2.44 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 1k4i s ASP 13 CO 0.00 -0.46 1.17 0.00 0.21 0.00 0.00 175.17 176.10 1k4i s ALA 14 N -2.41 3.22 0.28 5.23 0.00 -1.26 -4.73 121.76 122.09 1k4i s ALA 14 Ca 0.57 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.52 1k4i s ALA 14 Cb -0.10 -3.38 0.56 0.00 0.00 0.00 0.00 23.12 20.20 1k4i s ALA 14 CO 0.27 -0.49 1.83 0.82 0.00 0.00 0.00 175.76 178.19 1k4i h ILE 15 N 2.50 0.90 -0.64 0.00 1.08 -1.95 -0.68 117.51 118.71 1k4i h ILE 15 Ca -0.48 -0.33 0.05 0.00 -0.39 0.00 0.00 64.86 63.71 1k4i h ILE 15 Cb 1.23 -0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 1k4i h ILE 15 CO 0.63 0.18 0.42 -0.65 -0.69 0.00 0.00 178.15 178.04 1k4i h PRO 16 N 0.96 0.65 -0.08 2.37 0.11 -1.99 0.97 132.00 135.00 1k4i h PRO 16 Ca 0.50 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.40 1k4i h PRO 16 Cb 0.51 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1k4i h PRO 16 CO -0.28 0.43 -0.67 -0.44 -0.21 0.00 0.00 178.00 176.84 1k4i h ASP 17 N 0.67 0.37 -0.41 -2.05 3.32 -1.52 -1.84 116.42 114.96 1k4i h ASP 17 Ca 0.27 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1k4i h ASP 17 Cb 0.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1k4i h ASP 17 CO -0.08 0.93 0.06 0.58 -1.72 0.00 0.00 179.24 179.01 1k4i h VAL 18 N 0.23 1.24 -0.50 -1.35 2.07 -0.68 -2.22 116.25 115.05 1k4i h VAL 18 Ca -0.02 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.65 1k4i h VAL 18 Cb 1.21 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1k4i h VAL 18 CO 0.11 0.30 0.27 0.40 0.02 0.00 0.00 177.57 178.67 1k4i h ILE 19 N 0.53 1.00 -0.69 4.57 2.04 -0.68 -0.94 117.51 123.34 1k4i h ILE 19 Ca 0.12 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1k4i h ILE 19 Cb 0.38 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1k4i h ILE 19 CO 0.01 0.10 0.37 -0.61 0.00 0.00 0.00 178.15 178.01 1k4i h GLN 20 N 0.53 0.97 -0.83 2.37 5.75 -1.23 0.13 115.11 122.81 1k4i h GLN 20 Ca 0.21 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1k4i h GLN 20 Cb 0.08 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 1k4i h GLN 20 CO -0.12 0.73 0.36 0.00 -2.65 0.00 0.00 178.83 177.15 1k4i h ALA 21 N 1.18 1.07 -0.62 3.38 0.00 -0.99 -1.33 119.26 121.96 1k4i h ALA 21 Ca 0.24 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1k4i h ALA 21 Cb 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1k4i h ALA 21 CO -0.04 0.67 0.08 0.35 0.00 0.00 0.00 179.25 180.32 1k4i h PHE 22 N 1.19 1.10 -0.02 0.00 3.04 -0.76 -1.71 116.94 119.78 1k4i h PHE 22 Ca 0.28 -0.16 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 1k4i h PHE 22 Cb 0.17 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.38 1k4i h PHE 22 CO 0.02 0.95 -0.08 -0.22 -2.02 0.00 0.00 178.31 176.96 1k4i h LYS 23 N 0.94 0.03 0.00 1.11 3.64 -0.25 -0.71 116.57 121.32 1k4i h LYS 23 Ca 0.18 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1k4i h LYS 23 Cb 0.45 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1k4i h LYS 23 CO 0.02 0.11 0.00 0.09 -2.27 0.00 0.00 179.45 177.39 1k4i n ASN 24 N -4.43 0.00 -0.06 4.20 5.03 -0.55 -4.88 115.26 114.57 1k4i n ASN 24 Ca -0.02 -1.63 -0.01 0.00 0.87 0.00 0.00 54.58 53.79 1k4i n ASN 24 Cb 0.17 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.92 1k4i n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k4i n GLY 25 N 0.67 0.46 3.92 7.41 0.00 -0.27 -5.03 105.19 112.34 1k4i n GLY 25 Ca 0.08 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 1k4i n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k4i s GLU 26 N -1.81 3.54 0.50 1.61 2.02 -0.82 -4.85 118.70 118.89 1k4i s GLU 26 Ca 0.00 -0.12 -0.20 0.00 0.02 0.00 0.00 54.97 54.67 1k4i s GLU 26 Cb 0.00 -2.59 -0.08 0.00 0.10 0.00 0.00 34.13 31.56 1k4i s GLU 26 CO 0.00 0.08 1.04 -0.06 0.02 0.00 0.00 175.26 176.34 1k4i s PHE 27 N -2.37 2.99 0.12 1.61 0.40 -1.26 -4.46 117.98 115.01 1k4i s PHE 27 Ca 0.43 1.57 0.07 0.00 -0.60 0.00 0.00 56.93 58.40 1k4i s PHE 27 Cb -0.10 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 1k4i s PHE 27 CO 0.37 -0.88 -0.17 0.14 0.70 0.00 0.00 175.22 175.38 1k4i s VAL 28 N -2.02 1.52 -0.25 -0.44 -7.23 0.02 -4.35 120.40 107.64 1k4i s VAL 28 Ca 0.67 -1.65 -0.09 0.00 -1.81 0.00 0.00 61.98 59.10 1k4i s VAL 28 Cb -0.17 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1k4i s VAL 28 CO 0.22 -0.26 0.12 -0.69 -0.31 0.00 0.00 175.10 174.17 1k4i s VAL 29 N -1.71 4.76 -0.13 1.32 1.01 -0.16 -0.98 120.40 124.51 1k4i s VAL 29 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1k4i s VAL 29 Cb -0.07 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1k4i s VAL 29 CO 0.04 0.32 -0.14 -0.69 0.00 0.00 0.00 175.10 174.63 1k4i s VAL 30 N 1.51 1.49 -0.17 2.92 1.01 -0.35 -0.85 120.40 125.97 1k4i s VAL 30 Ca 0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1k4i s VAL 30 Cb -0.15 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1k4i s VAL 30 CO 0.06 0.44 0.13 -0.76 0.00 0.00 0.00 175.10 174.98 1k4i s LEU 31 N 1.27 4.27 0.00 3.92 1.02 -0.17 -1.21 118.68 127.79 1k4i s LEU 31 Ca -0.00 0.32 -0.05 0.00 0.02 0.00 0.00 54.13 54.41 1k4i s LEU 31 Cb -0.14 -2.08 0.17 0.00 0.02 0.00 0.00 46.19 44.16 1k4i s LEU 31 CO -0.06 0.27 1.08 -0.90 0.02 0.00 0.00 176.35 176.75 1k4i n ASP 32 N 2.93 0.93 -4.77 2.29 5.75 -0.65 -0.93 116.55 122.11 1k4i n ASP 32 Ca -0.18 -1.91 -0.39 0.00 -0.01 0.00 0.00 54.79 52.31 1k4i n ASP 32 Cb 0.53 -0.75 -0.01 0.00 -1.03 0.00 0.00 41.12 39.87 1k4i n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k4i s ASP 33 N -5.22 6.27 0.62 -1.12 2.15 -1.26 -4.52 116.67 113.59 1k4i s ASP 33 Ca 0.68 2.53 0.34 0.00 0.43 0.00 0.00 52.55 56.53 1k4i s ASP 33 Cb -0.03 -2.63 1.96 0.00 -0.30 0.00 0.00 42.92 41.92 1k4i s ASP 33 CO 0.46 -0.86 2.24 -0.65 -0.17 0.00 0.00 175.17 176.19 1k4i h PRO 34 N 2.50 0.00 -0.00 4.34 0.11 -1.95 0.19 132.00 137.19 1k4i h PRO 34 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1k4i h PRO 34 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1k4i h PRO 34 CO 0.62 0.00 -0.13 -1.13 -0.21 0.00 0.00 178.00 177.15 1k4i n SER 35 N -3.58 0.62 0.00 -2.05 3.41 -1.26 -4.31 113.62 106.45 1k4i n SER 35 Ca -0.02 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1k4i n SER 35 Cb 0.14 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1k4i n SER 35 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1k4i n ARG 36 N -0.83 0.00 0.12 4.33 0.63 0.64 -4.94 116.66 116.60 1k4i n ARG 36 Ca 0.15 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.14 1k4i n ARG 36 Cb 0.29 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.22 1k4i n ARG 36 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1k4i h GLU 37 N 0.00 0.00 -5.77 -0.14 5.08 -1.84 -3.48 114.58 108.43 1k4i h GLU 37 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 1k4i h GLU 37 Cb 0.00 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.34 1k4i h GLU 37 CO 0.00 0.21 -0.68 -1.71 -1.00 0.00 0.00 179.01 175.83 1k4i n ASN 38 N -2.96 -6.02 -4.34 1.42 4.05 -0.96 -4.98 115.26 101.45 1k4i n ASN 38 Ca -0.01 -0.55 -0.25 0.00 0.45 0.00 0.00 54.58 54.22 1k4i n ASN 38 Cb 0.67 -4.76 -0.12 0.00 1.23 0.00 0.00 39.78 36.80 1k4i n ASN 38 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1k4i s GLU 39 N -6.30 1.29 -0.10 1.20 2.02 -1.26 -4.76 118.70 110.79 1k4i s GLU 39 Ca 0.57 -1.34 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 1k4i s GLU 39 Cb -0.26 -1.54 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1k4i s GLU 39 CO 0.70 0.34 -0.01 0.00 0.02 0.00 0.00 175.26 176.32 1k4i s ALA 40 N -1.51 3.21 0.16 5.21 0.00 -1.26 -1.64 121.76 125.93 1k4i s ALA 40 Ca 0.13 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.37 1k4i s ALA 40 Cb -0.08 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1k4i s ALA 40 CO 0.06 0.51 -0.16 -0.51 0.00 0.00 0.00 175.76 175.67 1k4i s ASP 41 N -0.63 3.95 0.08 0.00 -0.00 -0.35 -0.69 116.67 119.02 1k4i s ASP 41 Ca 0.10 -0.63 -0.28 0.00 -0.00 0.00 0.00 52.55 51.74 1k4i s ASP 41 Cb -0.12 -0.56 -0.05 0.00 -0.00 0.00 0.00 42.92 42.19 1k4i s ASP 41 CO 0.02 0.14 0.88 -0.76 -0.00 0.00 0.00 175.17 175.45 1k4i s LEU 42 N -2.54 4.47 -0.04 1.23 1.43 -0.28 -1.21 118.68 121.75 1k4i s LEU 42 Ca 0.21 1.64 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 1k4i s LEU 42 Cb -0.09 -3.44 0.01 0.00 0.03 0.00 0.00 46.19 42.70 1k4i s LEU 42 CO 0.12 -0.05 -0.08 -0.63 0.23 0.00 0.00 176.35 175.95 1k4i s ILE 43 N 0.05 0.73 0.04 -0.59 1.01 -0.16 -2.27 121.20 120.02 1k4i s ILE 43 Ca 0.44 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 1k4i s ILE 43 Cb -0.22 -0.69 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 1k4i s ILE 43 CO 0.27 0.25 0.15 -0.51 0.00 0.00 0.00 174.94 175.10 1k4i s ILE 44 N 0.52 0.12 0.20 2.92 2.07 -0.55 -0.80 121.20 125.68 1k4i s ILE 44 Ca -0.08 -1.01 -0.30 0.00 -1.41 0.00 0.00 60.65 57.85 1k4i s ILE 44 Cb -0.12 -0.96 -0.09 0.00 0.13 0.00 0.00 42.46 41.43 1k4i s ILE 44 CO 0.01 -0.56 1.27 0.00 -1.91 0.00 0.00 174.94 173.75 1k4i s ALA 45 N -2.74 3.49 0.17 1.50 0.00 -1.26 -0.70 121.76 122.22 1k4i s ALA 45 Ca -0.04 1.06 0.18 0.00 0.00 0.00 0.00 51.96 53.16 1k4i s ALA 45 Cb -0.00 -3.45 0.62 0.00 0.00 0.00 0.00 23.12 20.29 1k4i s ALA 45 CO -0.05 -0.48 1.71 0.00 0.00 0.00 0.00 175.76 176.94 1k4i h ALA 46 N 5.18 0.98 -0.53 0.00 0.00 -1.48 -3.33 119.26 120.08 1k4i h ALA 46 Ca -0.45 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 54.19 1k4i h ALA 46 Cb 1.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1k4i h ALA 46 CO 0.75 0.50 0.36 1.05 0.00 0.00 0.00 179.25 181.92 1k4i h GLU 47 N 0.00 0.28 0.00 0.00 4.11 -1.82 -2.96 114.58 114.19 1k4i h GLU 47 Ca -0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 1k4i h GLU 47 Cb 0.94 -0.06 -0.19 0.00 0.50 0.00 0.00 28.75 29.93 1k4i h GLU 47 CO 0.05 0.19 -0.73 0.45 0.07 0.00 0.00 179.01 179.04 1k4i n SER 48 N -4.46 1.26 -4.72 3.06 2.88 -1.26 -4.74 113.62 105.64 1k4i n SER 48 Ca 0.09 -2.77 -0.42 0.00 -1.33 0.00 0.00 58.87 54.44 1k4i n SER 48 Cb 0.39 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 1k4i n SER 48 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k4i s VAL 49 N -1.37 2.09 0.49 2.46 0.11 -1.12 -4.96 120.40 118.11 1k4i s VAL 49 Ca 0.32 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 1k4i s VAL 49 Cb 0.34 -3.04 0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1k4i s VAL 49 CO -0.11 0.01 0.72 0.42 -3.33 0.00 0.00 175.10 172.81 1k4i s THR 50 N 1.04 3.46 0.18 5.04 -4.23 -1.26 -4.79 115.64 115.07 1k4i s THR 50 Ca 0.73 -0.56 -0.13 0.00 -1.18 0.00 0.00 61.69 60.55 1k4i s THR 50 Cb -0.49 -3.29 0.07 0.00 1.34 0.00 0.00 72.50 70.14 1k4i s THR 50 CO 0.34 -0.20 1.80 0.74 -0.54 0.00 0.00 174.62 176.76 1k4i h THR 51 N 0.26 1.02 -0.25 3.99 2.02 -1.91 -0.14 112.91 117.89 1k4i h THR 51 Ca -0.44 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.42 1k4i h THR 51 Cb 1.27 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1k4i h THR 51 CO 0.55 0.11 -0.33 -0.33 0.37 0.00 0.00 175.52 175.89 1k4i h GLU 52 N 0.58 0.52 -0.41 6.66 3.07 -1.94 -0.82 114.58 122.24 1k4i h GLU 52 Ca 0.22 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 1k4i h GLU 52 Cb 0.07 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1k4i h GLU 52 CO -0.12 0.78 0.04 1.96 -1.40 0.00 0.00 179.01 180.27 1k4i h GLN 53 N 0.44 0.69 -0.73 2.33 4.20 -1.86 -2.40 115.11 117.79 1k4i h GLN 53 Ca 0.05 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1k4i h GLN 53 Cb 0.79 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1k4i h GLN 53 CO 0.06 0.76 0.36 1.98 -0.67 0.00 0.00 178.83 181.32 1k4i h MET 54 N 0.54 1.03 -0.85 1.46 4.05 -0.72 0.05 114.93 120.49 1k4i h MET 54 Ca 0.12 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1k4i h MET 54 Cb 0.42 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 1k4i h MET 54 CO 0.01 0.79 0.47 0.00 0.23 0.00 0.00 176.91 178.41 1k4i h ALA 55 N 1.37 1.22 -0.39 0.39 0.00 -1.03 0.11 119.26 120.92 1k4i h ALA 55 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1k4i h ALA 55 Cb 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1k4i h ALA 55 CO -0.03 0.63 0.12 0.35 0.00 0.00 0.00 179.25 180.32 1k4i h PHE 56 N 1.18 0.63 -0.58 0.00 3.57 -0.84 -0.94 116.94 119.97 1k4i h PHE 56 Ca 0.30 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1k4i h PHE 56 Cb 0.02 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1k4i h PHE 56 CO 0.01 0.59 0.38 1.98 -2.23 0.00 0.00 178.31 179.04 1k4i h MET 57 N 0.49 0.75 -0.49 1.11 4.05 -0.23 -1.48 114.93 119.12 1k4i h MET 57 Ca 0.13 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1k4i h MET 57 Cb 0.26 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1k4i h MET 57 CO -0.00 0.49 0.15 0.28 0.23 0.00 0.00 176.91 178.06 1k4i h VAL 58 N 0.77 1.23 -0.95 -5.77 2.07 -0.70 -1.14 116.25 111.76 1k4i h VAL 58 Ca 0.22 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1k4i h VAL 58 Cb -0.06 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1k4i h VAL 58 CO -0.06 0.28 0.59 -0.09 0.02 0.00 0.00 177.57 178.31 1k4i h ARG 59 N 0.66 1.29 -0.03 1.57 9.65 -0.71 -3.16 114.38 123.65 1k4i h ARG 59 Ca 0.16 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1k4i h ARG 59 Cb 0.27 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1k4i h ARG 59 CO -0.01 0.89 -0.09 0.72 2.80 0.00 0.00 179.97 184.28 1k4i n HIS 60 N -4.36 0.00 -4.12 2.20 8.25 -0.60 -4.99 115.22 111.60 1k4i n HIS 60 Ca 0.11 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.41 1k4i n HIS 60 Cb 0.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 1k4i n HIS 60 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1k4i n SER 61 N 1.06 2.41 0.32 0.41 3.41 -0.44 -3.49 113.62 117.30 1k4i n SER 61 Ca 0.13 -2.09 0.21 0.00 -0.26 0.00 0.00 58.87 56.86 1k4i n SER 61 Cb 0.56 0.10 1.08 0.00 -0.26 0.00 0.00 64.21 65.70 1k4i n SER 61 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k4i h SER 62 N 0.52 0.00 0.00 4.04 4.64 -1.34 -3.43 113.55 117.98 1k4i h SER 62 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1k4i h SER 62 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1k4i h SER 62 CO 0.33 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 1k4i n GLY 63 N -0.83 1.59 3.44 -0.77 0.00 -1.26 -4.97 105.19 102.39 1k4i n GLY 63 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1k4i n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k4i s LEU 64 N 0.00 5.18 -0.29 0.99 2.96 -1.26 -4.98 118.68 121.28 1k4i s LEU 64 Ca 0.00 -2.02 -0.24 0.00 -0.22 0.00 0.00 54.13 51.64 1k4i s LEU 64 Cb 0.00 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.31 1k4i s LEU 64 CO 0.00 -1.04 0.84 -0.63 -1.32 0.00 0.00 176.35 174.19 1k4i s ILE 65 N 2.54 4.76 0.29 6.68 -1.09 -1.26 -4.59 121.20 128.53 1k4i s ILE 65 Ca 0.30 1.35 0.09 0.00 -2.23 0.00 0.00 60.65 60.16 1k4i s ILE 65 Cb -0.06 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1k4i s ILE 65 CO -0.08 -0.24 0.02 0.00 -1.23 0.00 0.00 174.94 173.41 1k4i s ALA 67 N -2.37 1.98 0.27 0.00 0.00 -0.02 -0.69 121.76 120.94 1k4i s ALA 67 Ca 0.33 -2.51 -0.31 0.00 0.00 0.00 0.00 51.96 49.47 1k4i s ALA 67 Cb -0.05 -1.84 -0.12 0.00 0.00 0.00 0.00 23.12 21.11 1k4i s ALA 67 CO 0.20 -2.07 1.60 -2.30 0.00 0.00 0.00 175.76 173.20 1k4i n PRO 68 N 3.54 2.65 -3.96 0.00 -0.02 -1.12 -1.41 135.00 134.68 1k4i n PRO 68 Ca 0.10 0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 62.43 1k4i n PRO 68 Cb 0.36 -2.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.04 1k4i n PRO 68 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k4i s LEU 69 N -0.11 0.75 0.68 2.45 2.34 0.09 -0.72 118.68 124.16 1k4i s LEU 69 Ca 0.67 -0.87 -0.11 0.00 0.06 0.00 0.00 54.13 53.88 1k4i s LEU 69 Cb -0.52 1.36 -0.00 0.00 -0.56 0.00 0.00 46.19 46.48 1k4i s LEU 69 CO 0.46 -0.96 1.07 0.42 -1.06 0.00 0.00 176.35 176.28 1k4i s THR 70 N -3.98 3.85 0.33 5.48 -4.23 -1.22 -1.01 115.64 114.87 1k4i s THR 70 Ca 0.19 0.58 0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1k4i s THR 70 Cb 0.02 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.55 1k4i s THR 70 CO 0.02 -0.77 1.97 -0.65 -0.54 0.00 0.00 174.62 174.65 1k4i h PRO 71 N -0.53 0.89 -0.77 3.99 0.11 -1.94 -0.69 132.00 133.05 1k4i h PRO 71 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k4i h PRO 71 Cb 1.23 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1k4i h PRO 71 CO 0.63 0.59 0.48 1.49 -0.21 0.00 0.00 178.00 180.98 1k4i h GLU 72 N 0.91 1.03 -0.13 1.05 4.22 -1.95 -1.86 114.58 117.84 1k4i h GLU 72 Ca 0.30 -0.08 -0.16 0.00 0.08 0.00 0.00 59.36 59.50 1k4i h GLU 72 Cb 0.06 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1k4i h GLU 72 CO -0.09 0.70 -0.61 0.00 -2.18 0.00 0.00 179.01 176.83 1k4i h ARG 73 N 1.05 0.46 -0.07 1.92 2.47 -1.54 -0.40 114.38 118.27 1k4i h ARG 73 Ca 0.28 -0.32 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 1k4i h ARG 73 Cb -0.08 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 1k4i h ARG 73 CO -0.06 0.93 -0.27 1.79 0.56 0.00 0.00 179.97 182.92 1k4i h THR 74 N 0.34 1.23 0.00 2.04 1.35 -0.58 0.57 112.91 117.85 1k4i h THR 74 Ca -0.01 -1.06 -0.09 0.00 -0.55 0.00 0.00 66.41 64.70 1k4i h THR 74 Cb 1.16 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1k4i h THR 74 CO 0.11 0.31 -0.35 0.74 -0.25 0.00 0.00 175.52 176.08 1k4i h THR 75 N 0.11 1.52 -0.77 6.82 2.02 -1.25 -0.11 112.91 121.25 1k4i h THR 75 Ca 0.02 -2.00 0.03 0.00 0.77 0.00 0.00 66.41 65.23 1k4i h THR 75 Cb 0.54 2.73 -0.04 0.00 -1.74 0.00 0.00 68.15 69.64 1k4i h THR 75 CO 0.04 0.56 0.50 0.00 0.37 0.00 0.00 175.52 176.99 1k4i h ALA 76 N 0.27 1.54 -0.10 6.16 0.00 -0.78 -2.33 119.26 124.02 1k4i h ALA 76 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1k4i h ALA 76 Cb 1.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1k4i h ALA 76 CO 0.07 0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.98 1k4i n LEU 77 N -4.45 2.64 -3.33 0.00 4.77 0.17 -4.27 117.00 112.52 1k4i n LEU 77 Ca 0.10 -0.95 -0.18 0.00 -0.03 0.00 0.00 56.01 54.95 1k4i n LEU 77 Cb 0.12 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1k4i n LEU 77 CO 0.35 0.47 0.02 -0.67 -1.33 0.00 0.00 177.39 176.23 1k4i n ASP 78 N 1.03 -6.13 -3.96 -1.43 2.03 -0.73 -4.18 116.55 103.18 1k4i n ASP 78 Ca 0.16 -0.76 -0.31 0.00 0.52 0.00 0.00 54.79 54.41 1k4i n ASP 78 Cb 0.53 -4.91 -0.13 0.00 -0.72 0.00 0.00 41.12 35.89 1k4i n ASP 78 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1k4i s LEU 79 N -5.63 4.55 0.71 -2.67 1.43 -0.13 -5.04 118.68 111.90 1k4i s LEU 79 Ca 0.43 -3.18 -0.11 0.00 -1.03 0.00 0.00 54.13 50.25 1k4i s LEU 79 Cb -0.07 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.49 1k4i s LEU 79 CO 0.76 -0.22 1.07 -2.16 0.23 0.00 0.00 176.35 176.03 1k4i s PRO 80 N -0.52 2.81 0.40 1.29 0.04 -1.26 -4.72 135.00 133.04 1k4i s PRO 80 Ca 0.19 0.94 -0.27 0.00 0.04 0.00 0.00 61.00 61.90 1k4i s PRO 80 Cb -0.21 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1k4i s PRO 80 CO -0.04 -1.18 1.48 -0.65 0.04 0.00 0.00 177.00 176.65 1k4i s GLN 81 N -5.04 3.98 0.22 4.56 -1.52 -1.26 -1.00 119.66 119.59 1k4i s GLN 81 Ca 0.58 2.55 -0.09 0.00 -1.95 0.00 0.00 55.36 56.45 1k4i s GLN 81 Cb -0.14 -2.88 0.18 0.00 -0.22 0.00 0.00 33.01 29.95 1k4i s GLN 81 CO 0.55 -0.63 1.88 1.98 -0.25 0.00 0.00 175.29 178.82 1k4i h MET 82 N 2.79 1.08 -5.59 2.91 1.85 -1.05 -3.42 114.93 113.51 1k4i h MET 82 Ca -0.51 -0.08 -0.58 0.00 -0.61 0.00 0.00 59.70 57.93 1k4i h MET 82 Cb 1.25 -0.24 -0.30 0.00 0.43 0.00 0.00 31.60 32.74 1k4i h MET 82 CO 0.63 0.74 -0.84 0.14 -0.40 0.00 0.00 176.91 177.17 1k4i s VAL 83 N -6.07 1.50 0.19 -5.77 -7.23 -1.26 -4.95 120.40 96.81 1k4i s VAL 83 Ca -0.13 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1k4i s VAL 83 Cb 0.16 -1.27 -0.10 0.00 0.56 0.00 0.00 36.38 35.72 1k4i s VAL 83 CO 0.79 0.43 1.45 0.71 -0.31 0.00 0.00 175.10 178.17 1k4i h THR 84 N 4.97 1.43 -2.89 5.32 1.35 -2.00 -3.36 112.91 117.73 1k4i h THR 84 Ca -0.35 -2.28 -0.69 0.00 -0.55 0.00 0.00 66.41 62.53 1k4i h THR 84 Cb 1.16 2.22 -0.36 0.00 -1.73 0.00 0.00 68.15 69.44 1k4i h THR 84 CO 0.48 0.67 -0.05 1.41 -0.25 0.00 0.00 175.52 177.78 1k4i n HIS 85 N -3.78 3.59 -1.46 4.73 8.25 -1.26 -5.06 115.22 120.23 1k4i n HIS 85 Ca -0.03 -3.80 -0.49 0.00 -0.26 0.00 0.00 57.72 53.13 1k4i n HIS 85 Cb 0.72 -0.98 -0.07 0.00 1.12 0.00 0.00 29.99 30.78 1k4i n HIS 85 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1k4i n ASN 86 N 1.64 2.19 -0.73 0.41 2.85 -1.26 -4.89 115.26 115.48 1k4i n ASN 86 Ca 0.25 0.36 0.11 0.00 -0.11 0.00 0.00 54.58 55.19 1k4i n ASN 86 Cb 0.37 -1.29 0.33 0.00 1.24 0.00 0.00 39.78 40.43 1k4i n ASN 86 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k4i n ALA 87 N 10.20 2.50 -2.08 5.20 0.00 -1.26 -4.90 120.51 130.17 1k4i n ALA 87 Ca 0.41 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1k4i n ALA 87 Cb 0.25 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1k4i n ALA 87 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k4i s ASP 88 N -1.61 6.86 0.59 0.00 -1.08 -1.26 -4.92 116.67 115.24 1k4i s ASP 88 Ca 0.34 2.37 0.36 0.00 -0.52 0.00 0.00 52.55 55.10 1k4i s ASP 88 Cb 0.19 -2.60 1.77 0.00 -1.46 0.00 0.00 42.92 40.82 1k4i s ASP 88 CO 0.28 -0.58 2.14 -0.65 0.52 0.00 0.00 175.17 176.89 1k4i h PRO 89 N 5.97 0.00 -0.00 4.34 0.11 -1.99 -1.84 132.00 138.59 1k4i h PRO 89 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1k4i h PRO 89 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1k4i h PRO 89 CO 0.81 0.03 -0.82 0.54 -0.21 0.00 0.00 178.00 178.35 1k4i n ARG 90 N -3.22 0.82 -1.89 1.05 1.74 -1.26 -4.97 116.66 108.93 1k4i n ARG 90 Ca -0.01 -0.17 -0.04 0.00 -0.77 0.00 0.00 57.85 56.86 1k4i n ARG 90 Cb 0.21 -1.40 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1k4i n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k4i n GLY 91 N 1.43 0.30 3.68 -0.13 0.00 -0.69 -4.91 105.19 104.88 1k4i n GLY 91 Ca 0.04 -0.76 -0.51 0.00 0.00 0.00 0.00 46.02 44.79 1k4i n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k4i n THR 92 N -3.79 0.41 -2.08 2.61 -1.04 -1.26 -4.81 114.28 104.32 1k4i n THR 92 Ca -0.04 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.48 1k4i n THR 92 Cb 0.46 -1.59 -0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1k4i n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k4i n ALA 93 N 5.73 6.35 -1.83 2.41 0.00 -1.26 -4.94 120.51 126.97 1k4i n ALA 93 Ca 0.23 -4.14 -0.42 0.00 0.00 0.00 0.00 53.44 49.12 1k4i n ALA 93 Cb 0.24 -2.87 -0.02 0.00 0.00 0.00 0.00 19.45 16.79 1k4i n ALA 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1k4i s TYR 94 N -0.47 2.92 0.71 0.00 1.51 -1.26 -1.30 117.35 119.46 1k4i s TYR 94 Ca 0.50 0.73 -0.01 0.00 -1.01 0.00 0.00 57.07 57.28 1k4i s TYR 94 Cb 0.15 -3.98 0.14 0.00 -0.11 0.00 0.00 41.96 38.16 1k4i s TYR 94 CO -0.06 -3.43 0.98 0.25 -1.11 0.00 0.00 175.55 172.17 1k4i n THR 95 N 2.95 0.00 -1.75 -0.71 -2.24 -0.41 -0.64 114.28 111.48 1k4i n THR 95 Ca 0.10 -1.49 -0.38 0.00 -2.27 0.00 0.00 64.05 60.01 1k4i n THR 95 Cb 0.38 -0.93 0.05 0.00 -2.10 0.00 0.00 70.33 67.73 1k4i n THR 95 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1k4i s VAL 96 N -3.00 2.03 0.67 2.28 0.11 -0.17 -4.19 120.40 118.12 1k4i s VAL 96 Ca 0.64 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.60 1k4i s VAL 96 Cb -0.04 -3.01 -0.01 0.00 -1.53 0.00 0.00 36.38 31.80 1k4i s VAL 96 CO 0.43 -0.00 1.06 -0.94 -3.33 0.00 0.00 175.10 172.32 1k4i s SER 97 N -1.10 5.75 0.05 3.54 1.04 -1.26 -4.52 113.70 117.18 1k4i s SER 97 Ca 0.76 1.32 -0.02 0.00 0.48 0.00 0.00 55.95 58.49 1k4i s SER 97 Cb -0.40 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 1k4i s SER 97 CO 0.45 -1.17 0.00 0.68 0.98 0.00 0.00 173.24 174.18 1k4i s VAL 98 N -3.23 0.18 0.18 5.02 -7.23 -0.31 -2.92 120.40 112.09 1k4i s VAL 98 Ca 0.57 -1.51 0.08 0.00 -1.81 0.00 0.00 61.98 59.30 1k4i s VAL 98 Cb -0.12 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1k4i s VAL 98 CO 0.53 -0.84 -0.16 -1.81 -0.31 0.00 0.00 175.10 172.52 1k4i s ASP 99 N -2.56 2.53 0.13 4.85 1.01 -0.36 -1.39 116.67 120.88 1k4i s ASP 99 Ca 0.01 -0.94 -0.30 0.00 0.71 0.00 0.00 52.55 52.03 1k4i s ASP 99 Cb 0.03 -0.13 -0.06 0.00 1.01 0.00 0.00 42.92 43.76 1k4i s ASP 99 CO -0.08 -0.12 1.09 0.00 0.21 0.00 0.00 175.17 176.27 1k4i s ALA 100 N -2.55 3.34 -0.74 5.23 0.00 -1.26 -0.55 121.76 125.23 1k4i s ALA 100 Ca 0.18 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 52.70 1k4i s ALA 100 Cb -0.03 -3.36 0.10 0.00 0.00 0.00 0.00 23.12 19.83 1k4i s ALA 100 CO 0.06 -0.23 0.95 -2.00 0.00 0.00 0.00 175.76 174.54 1k4i s GLU 101 N 0.11 3.27 -0.02 0.00 2.56 -0.04 -4.77 118.70 119.80 1k4i s GLU 101 Ca 0.51 -1.31 -0.22 0.00 0.00 0.00 0.00 54.97 53.94 1k4i s GLU 101 Cb -0.28 -4.47 0.05 0.00 2.00 0.00 0.00 34.13 31.43 1k4i s GLU 101 CO 0.32 -1.72 0.49 -1.58 -0.56 0.00 0.00 175.26 172.21 1k4i s HIS 102 N 3.14 -0.41 0.53 5.30 2.46 -1.26 -4.87 115.29 120.17 1k4i s HIS 102 Ca 0.23 0.65 0.34 0.00 0.47 0.00 0.00 55.06 56.75 1k4i s HIS 102 Cb -0.15 0.25 1.87 0.00 -0.13 0.00 0.00 32.58 34.43 1k4i s HIS 102 CO 0.02 -0.51 2.22 -1.35 -2.47 0.00 0.00 174.74 172.65 1k4i h PRO 103 N 3.39 0.00 0.00 2.88 0.11 -2.04 -2.12 132.00 134.23 1k4i h PRO 103 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1k4i h PRO 103 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1k4i h PRO 103 CO 0.40 0.03 -0.25 -1.13 -0.21 0.00 0.00 178.00 176.85 1k4i n SER 104 N -3.50 0.41 -4.76 -2.05 3.41 -1.26 -4.86 113.62 101.01 1k4i n SER 104 Ca -0.02 0.24 -0.40 0.00 -0.26 0.00 0.00 58.87 58.43 1k4i n SER 104 Cb 0.14 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1k4i n SER 104 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k4i s THR 105 N -3.05 3.21 0.00 6.66 2.01 -0.80 -4.96 115.64 118.71 1k4i s THR 105 Ca 0.11 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1k4i s THR 105 Cb 0.16 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1k4i s THR 105 CO 0.62 0.27 0.00 0.35 -0.69 0.00 0.00 174.62 175.17 1k4i n THR 106 N 0.95 0.00 1.29 -0.82 -2.24 -1.26 -4.93 114.28 107.27 1k4i n THR 106 Ca -0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1k4i n THR 106 Cb 0.44 -0.07 0.36 0.00 -2.10 0.00 0.00 70.33 68.97 1k4i n THR 106 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k4i n THR 107 N 0.00 0.00 0.00 4.28 -2.24 -1.26 -4.95 114.28 110.11 1k4i n THR 107 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1k4i n THR 107 Cb 0.00 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1k4i n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k4i n GLY 108 N 1.29 2.69 0.06 3.38 0.00 -1.26 -4.88 105.19 106.47 1k4i n GLY 108 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1k4i n GLY 108 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1k4i n ILE 109 N -2.00 0.48 -0.74 -0.61 0.13 -1.26 -4.08 119.36 111.28 1k4i n ILE 109 Ca 0.00 -0.59 -0.31 0.00 -1.10 0.00 0.00 62.75 60.76 1k4i n ILE 109 Cb 0.00 -0.23 0.17 0.00 -0.84 0.00 0.00 39.64 38.74 1k4i n ILE 109 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1k4i s SER 110 N -4.99 2.75 0.24 9.51 1.04 -1.26 -4.65 113.70 116.34 1k4i s SER 110 Ca -0.06 2.03 -0.04 0.00 0.48 0.00 0.00 55.95 58.35 1k4i s SER 110 Cb 0.11 -2.51 0.40 0.00 0.10 0.00 0.00 66.02 64.13 1k4i s SER 110 CO 0.86 -3.18 1.80 0.00 0.98 0.00 0.00 173.24 173.69 1k4i h ALA 111 N -1.92 1.15 -0.10 5.32 0.00 -1.92 0.76 119.26 122.54 1k4i h ALA 111 Ca -0.46 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1k4i h ALA 111 Cb 1.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1k4i h ALA 111 CO 0.44 0.04 -0.08 1.25 0.00 0.00 0.00 179.25 180.90 1k4i h HIS 112 N 0.73 -0.20 -0.51 0.00 -0.00 -1.90 -0.51 115.15 112.76 1k4i h HIS 112 Ca 0.40 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.66 1k4i h HIS 112 Cb 0.40 0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 1k4i h HIS 112 CO -0.07 -0.13 -0.16 -0.44 -0.00 0.00 0.00 177.93 177.13 1k4i h ASP 113 N -0.09 1.01 -0.37 3.26 3.32 -1.62 -1.17 116.42 120.75 1k4i h ASP 113 Ca 0.07 -0.36 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 1k4i h ASP 113 Cb 0.19 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1k4i h ASP 113 CO -0.16 1.15 -0.38 0.03 -1.72 0.00 0.00 179.24 178.16 1k4i h ARG 114 N 0.88 0.91 -0.75 3.56 3.08 -0.81 -1.39 114.38 119.85 1k4i h ARG 114 Ca 0.13 -0.48 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 1k4i h ARG 114 Cb 0.73 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 1k4i h ARG 114 CO 0.06 1.13 0.32 0.00 -1.07 0.00 0.00 179.97 180.41 1k4i h ALA 115 N 0.76 0.97 -0.55 0.04 0.00 -1.02 -1.97 119.26 117.49 1k4i h ALA 115 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k4i h ALA 115 Cb 0.97 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1k4i h ALA 115 CO 0.09 0.57 0.34 1.25 0.00 0.00 0.00 179.25 181.51 1k4i h LEU 116 N 1.07 0.64 -0.72 0.00 5.85 -1.00 -0.40 115.31 120.75 1k4i h LEU 116 Ca 0.25 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1k4i h LEU 116 Cb 0.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1k4i h LEU 116 CO -0.02 0.49 0.46 0.00 -0.34 0.00 0.00 178.44 179.03 1k4i h ALA 117 N 1.18 0.93 -0.33 1.25 0.00 -0.98 0.15 119.26 121.47 1k4i h ALA 117 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1k4i h ALA 117 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1k4i h ALA 117 CO -0.04 0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.61 1k4i h ARG 119 N 0.38 0.92 -0.28 0.00 3.08 -0.70 -2.39 114.38 115.39 1k4i h ARG 119 Ca 0.11 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1k4i h ARG 119 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1k4i h ARG 119 CO -0.01 0.77 -0.33 0.52 -1.07 0.00 0.00 179.97 179.84 1k4i h MET 120 N 0.90 0.60 -0.56 0.04 2.86 -0.72 -1.65 114.93 116.40 1k4i h MET 120 Ca 0.21 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1k4i h MET 120 Cb 0.20 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1k4i h MET 120 CO -0.02 0.85 0.35 -0.07 1.06 0.00 0.00 176.91 179.09 1k4i h LEU 121 N 0.51 0.65 -0.01 1.22 3.38 -0.64 -2.72 115.31 117.70 1k4i h LEU 121 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1k4i h LEU 121 Cb 0.82 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1k4i h LEU 121 CO 0.07 0.49 -0.28 0.00 0.09 0.00 0.00 178.44 178.80 1k4i n ALA 122 N -2.45 3.02 -1.77 1.53 0.00 -0.94 -4.90 120.51 115.00 1k4i n ALA 122 Ca 0.05 -0.25 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 1k4i n ALA 122 Cb 0.06 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.24 1k4i n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k4i s ALA 123 N -2.98 3.38 0.43 0.00 0.00 -0.66 -4.84 121.76 117.08 1k4i s ALA 123 Ca 0.13 1.35 0.09 0.00 0.00 0.00 0.00 51.96 53.53 1k4i s ALA 123 Cb 0.18 -3.53 0.94 0.00 0.00 0.00 0.00 23.12 20.71 1k4i s ALA 123 CO 0.62 -0.88 2.05 -1.35 0.00 0.00 0.00 175.76 176.20 1k4i h PRO 124 N 2.87 0.46 -0.64 0.00 0.10 -1.91 -1.22 132.00 131.65 1k4i h PRO 124 Ca -0.50 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.57 1k4i h PRO 124 Cb 1.24 -0.10 0.00 0.00 0.10 0.00 0.00 31.00 32.24 1k4i h PRO 124 CO 0.63 0.30 0.00 -0.40 0.10 0.00 0.00 178.00 178.64 1k4i n ASP 125 N -4.48 3.72 -4.72 -2.05 5.75 -1.26 -4.99 116.55 108.52 1k4i n ASP 125 Ca 0.04 -2.40 -0.39 0.00 -0.01 0.00 0.00 54.79 52.03 1k4i n ASP 125 Cb 0.14 -0.52 0.03 0.00 -1.03 0.00 0.00 41.12 39.74 1k4i n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k4i n ALA 126 N 0.66 1.48 -2.14 2.12 0.00 -0.46 -5.02 120.51 117.14 1k4i n ALA 126 Ca 0.19 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 1k4i n ALA 126 Cb 0.73 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 1k4i n ALA 126 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k4i s GLN 127 N -2.61 0.81 0.29 0.00 -0.21 -1.26 -4.92 119.66 111.75 1k4i s GLN 127 Ca 0.67 -1.34 0.03 0.00 0.02 0.00 0.00 55.36 54.74 1k4i s GLN 127 Cb -0.45 0.06 0.64 0.00 1.00 0.00 0.00 33.01 34.27 1k4i s GLN 127 CO 0.53 -0.13 1.78 -1.35 -2.12 0.00 0.00 175.29 174.00 1k4i h PRO 128 N 2.98 0.73 0.00 2.91 0.11 -1.74 -0.92 132.00 136.07 1k4i h PRO 128 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1k4i h PRO 128 Cb 1.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1k4i h PRO 128 CO 0.64 0.48 0.00 -1.13 -0.21 0.00 0.00 178.00 177.78 1k4i n SER 129 N -4.78 0.00 0.00 -2.05 3.41 -1.26 -2.21 113.62 106.73 1k4i n SER 129 Ca 0.21 0.36 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 1k4i n SER 129 Cb 0.49 -0.42 0.70 0.00 -0.26 0.00 0.00 64.21 64.72 1k4i n SER 129 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1k4i n HIS 130 N -1.42 0.00 -4.87 7.33 8.25 -0.35 -4.78 115.22 119.38 1k4i n HIS 130 Ca 0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 1k4i n HIS 130 Cb 0.11 -0.28 -0.16 0.00 1.12 0.00 0.00 29.99 30.79 1k4i n HIS 130 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1k4i s PHE 131 N -2.56 1.71 -0.01 4.41 0.40 -0.94 -0.86 117.98 120.14 1k4i s PHE 131 Ca 0.27 -0.43 -0.16 0.00 -0.60 0.00 0.00 56.93 56.01 1k4i s PHE 131 Cb 0.19 -1.13 -0.06 0.00 0.51 0.00 0.00 43.02 42.53 1k4i s PHE 131 CO 0.42 -0.11 0.44 1.03 0.70 0.00 0.00 175.22 177.69 1k4i s ARG 132 N -0.15 4.02 -0.03 0.44 0.52 0.28 -4.87 118.95 119.16 1k4i s ARG 132 Ca 0.00 0.46 0.05 0.00 -0.52 0.00 0.00 55.73 55.72 1k4i s ARG 132 Cb -0.10 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 1k4i s ARG 132 CO 0.01 0.61 -0.19 1.03 0.02 0.00 0.00 175.30 176.79 1k4i s ARG 133 N -0.85 1.75 0.95 3.54 3.00 -1.26 -1.23 118.95 124.85 1k4i s ARG 133 Ca 0.25 -0.66 -0.15 0.00 0.00 0.00 0.00 55.73 55.16 1k4i s ARG 133 Cb -0.17 -1.58 0.20 0.00 0.00 0.00 0.00 34.95 33.40 1k4i s ARG 133 CO 0.14 0.32 1.31 -1.25 0.00 0.00 0.00 175.30 175.81 1k4i s PRO 134 N -0.17 0.67 0.00 3.54 0.04 -1.26 -5.07 135.00 132.75 1k4i s PRO 134 Ca 0.01 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1k4i s PRO 134 Cb -0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1k4i s PRO 134 CO 0.01 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.08 1k4i n GLY 135 N -3.73 3.19 0.16 0.56 0.00 -1.15 -4.48 105.19 99.75 1k4i n GLY 135 Ca 0.15 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.68 1k4i n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k4i n HIS 136 N 0.00 0.05 -5.06 1.61 8.25 -0.76 -4.43 115.22 114.88 1k4i n HIS 136 Ca 0.00 -0.18 -0.32 0.00 -0.26 0.00 0.00 57.72 56.96 1k4i n HIS 136 Cb 0.00 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 1k4i n HIS 136 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k4i s VAL 137 N -0.55 2.55 -0.48 1.59 1.01 -0.49 -4.79 120.40 119.25 1k4i s VAL 137 Ca 0.05 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1k4i s VAL 137 Cb 0.03 -1.96 0.13 0.00 0.00 0.00 0.00 36.38 34.58 1k4i s VAL 137 CO 0.05 0.56 0.26 -0.36 0.00 0.00 0.00 175.10 175.60 1k4i s PHE 138 N -0.70 3.51 0.51 5.22 0.40 -1.03 -1.16 117.98 124.73 1k4i s PHE 138 Ca 0.11 -2.70 -0.21 0.00 -0.60 0.00 0.00 56.93 53.53 1k4i s PHE 138 Cb -0.10 -3.12 -0.06 0.00 0.51 0.00 0.00 43.02 40.24 1k4i s PHE 138 CO 0.00 -0.90 1.18 -2.14 0.70 0.00 0.00 175.22 174.06 1k4i s PRO 139 N 0.55 3.50 -0.07 0.24 0.02 -1.26 -0.84 135.00 137.14 1k4i s PRO 139 Ca 0.12 1.79 0.02 0.00 0.02 0.00 0.00 61.00 62.95 1k4i s PRO 139 Cb -0.22 -2.23 0.02 0.00 0.02 0.00 0.00 34.50 32.08 1k4i s PRO 139 CO -0.04 -0.77 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.23 1k4i s LEU 140 N -3.40 1.57 -0.46 -5.54 1.43 -0.50 -1.28 118.68 110.50 1k4i s LEU 140 Ca 0.68 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.23 1k4i s LEU 140 Cb -0.29 -0.83 0.03 0.00 0.03 0.00 0.00 46.19 45.13 1k4i s LEU 140 CO 0.34 0.01 0.95 -0.60 0.23 0.00 0.00 176.35 177.27 1k4i s ARG 141 N 0.85 3.57 0.55 1.70 3.52 -0.42 -0.73 118.95 127.99 1k4i s ARG 141 Ca -0.11 0.23 -0.19 0.00 -0.13 0.00 0.00 55.73 55.52 1k4i s ARG 141 Cb -0.15 -3.92 -0.05 0.00 -1.56 0.00 0.00 34.95 29.26 1k4i s ARG 141 CO 0.01 -1.23 1.15 0.00 -0.81 0.00 0.00 175.30 174.42 1k4i s ALA 142 N 3.82 2.68 0.49 6.12 0.00 -0.18 -4.60 121.76 130.10 1k4i s ALA 142 Ca 0.38 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 53.02 1k4i s ALA 142 Cb -0.10 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 1k4i s ALA 142 CO 0.27 -0.84 1.02 0.14 0.00 0.00 0.00 175.76 176.34 1k4i s VAL 143 N -1.72 3.99 0.44 0.00 -7.23 -1.26 -4.18 120.40 110.44 1k4i s VAL 143 Ca 0.73 1.16 0.16 0.00 -1.81 0.00 0.00 61.98 62.23 1k4i s VAL 143 Cb -0.25 -3.50 0.35 0.00 0.56 0.00 0.00 36.38 33.54 1k4i s VAL 143 CO 0.28 -0.34 1.95 0.00 -0.31 0.00 0.00 175.10 176.68 1k4i h ALA 144 N 1.39 2.14 0.00 1.32 0.00 -1.99 -1.57 119.26 120.54 1k4i h ALA 144 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1k4i h ALA 144 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1k4i h ALA 144 CO 0.59 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1k4i n GLY 145 N -1.54 -1.02 7.00 0.00 0.00 -1.26 -5.02 105.19 103.35 1k4i n GLY 145 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1k4i n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k4i n GLY 146 N 0.82 -0.63 0.26 -0.02 0.00 -0.59 -3.59 105.19 101.44 1k4i n GLY 146 Ca 0.16 -1.12 0.09 0.00 0.00 0.00 0.00 46.02 45.15 1k4i n GLY 146 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1k4i h VAL 147 N 0.00 0.91 0.00 1.61 -1.51 -1.79 -0.87 116.25 114.59 1k4i h VAL 147 Ca 0.00 -0.13 -0.08 0.00 -1.23 0.00 0.00 66.70 65.26 1k4i h VAL 147 Cb 0.00 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 1k4i h VAL 147 CO 0.00 0.04 -0.37 0.03 -1.23 0.00 0.00 177.57 176.03 1k4i h ARG 148 N 0.00 0.00 0.09 5.19 3.08 -1.95 -3.27 114.38 117.52 1k4i h ARG 148 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 1k4i h ARG 148 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1k4i h ARG 148 CO 0.00 0.37 -1.64 0.00 -1.07 0.00 0.00 179.97 177.64 1k4i h ALA 149 N 1.63 0.42 -2.81 0.04 0.00 -1.24 -3.45 119.26 113.84 1k4i h ALA 149 Ca -0.00 -1.23 -0.33 0.00 0.00 0.00 0.00 54.91 53.34 1k4i h ALA 149 Cb 0.71 0.39 -0.37 0.00 0.00 0.00 0.00 17.79 18.52 1k4i h ALA 149 CO 0.05 1.27 -0.65 0.50 0.00 0.00 0.00 179.25 180.43 1k4i s ARG 150 N -2.61 0.11 -0.17 0.00 3.52 -0.81 -5.02 118.95 113.98 1k4i s ARG 150 Ca -0.10 0.30 -0.05 0.00 -0.13 0.00 0.00 55.73 55.74 1k4i s ARG 150 Cb 0.07 -0.96 -0.16 0.00 -1.56 0.00 0.00 34.95 32.35 1k4i s ARG 150 CO 0.83 -0.53 3.33 0.54 -0.81 0.00 0.00 175.30 178.66 1k4i n ARG 151 N 5.32 2.16 -3.91 5.12 1.74 -1.24 -4.26 116.66 121.59 1k4i n ARG 151 Ca -0.05 -1.47 -0.22 0.00 -0.77 0.00 0.00 57.85 55.34 1k4i n ARG 151 Cb 0.50 -2.06 -0.04 0.00 -1.02 0.00 0.00 32.46 29.83 1k4i n ARG 151 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1k4i s GLY 152 N 1.44 1.81 0.45 -0.13 0.00 -1.26 -4.73 107.32 104.90 1k4i s GLY 152 Ca 0.64 -1.70 0.18 0.00 0.00 0.00 0.00 44.72 43.85 1k4i s GLY 152 CO -0.08 -1.63 1.96 0.45 0.00 0.00 0.00 173.10 173.81 1k4i h HIS 153 N 1.35 0.00 0.37 1.90 3.86 -1.96 -0.37 115.15 120.30 1k4i h HIS 153 Ca -0.45 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.75 1k4i h HIS 153 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1k4i h HIS 153 CO 0.56 0.22 -0.18 1.15 0.86 0.00 0.00 177.93 180.54 1k4i h THR 154 N 0.00 0.64 -0.85 2.45 2.02 -1.95 -0.40 112.91 114.82 1k4i h THR 154 Ca -0.00 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1k4i h THR 154 Cb 0.44 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1k4i h THR 154 CO 0.03 0.01 0.40 -0.33 0.37 0.00 0.00 175.52 176.00 1k4i h GLU 155 N -0.53 1.22 -0.98 6.66 3.07 -1.76 -2.46 114.58 119.79 1k4i h GLU 155 Ca -0.05 -0.18 0.01 0.00 -0.50 0.00 0.00 59.36 58.64 1k4i h GLU 155 Cb 0.40 -0.22 -0.05 0.00 -0.84 0.00 0.00 28.75 28.05 1k4i h GLU 155 CO 0.08 0.94 0.64 0.00 -1.40 0.00 0.00 179.01 179.27 1k4i h ALA 156 N 1.23 1.28 -0.25 3.43 0.00 -0.82 0.12 119.26 124.27 1k4i h ALA 156 Ca 0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1k4i h ALA 156 Cb 0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1k4i h ALA 156 CO -0.04 0.66 0.01 0.78 0.00 0.00 0.00 179.25 180.66 1k4i h GLY 157 N 1.34 0.46 1.22 0.00 0.00 -0.67 -0.43 103.07 104.98 1k4i h GLY 157 Ca 0.36 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1k4i h GLY 157 CO -0.08 0.30 0.30 -2.08 0.00 0.00 0.00 176.54 174.98 1k4i h VAL 158 N 0.21 1.23 -0.49 4.60 2.07 -1.19 -1.78 116.25 120.90 1k4i h VAL 158 Ca 0.07 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1k4i h VAL 158 Cb 0.39 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1k4i h VAL 158 CO 0.01 0.29 0.22 -0.08 0.02 0.00 0.00 177.57 178.02 1k4i h GLU 159 N 0.99 0.72 -0.88 1.57 4.57 -0.56 -1.56 114.58 119.43 1k4i h GLU 159 Ca 0.24 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1k4i h GLU 159 Cb 0.16 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1k4i h GLU 159 CO -0.02 0.63 0.46 -0.07 -1.18 0.00 0.00 179.01 178.82 1k4i h LEU 160 N 0.65 1.13 -0.44 1.64 3.38 -0.79 0.54 115.31 121.42 1k4i h LEU 160 Ca 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1k4i h LEU 160 Cb 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1k4i h LEU 160 CO -0.02 0.92 0.29 0.00 0.09 0.00 0.00 178.44 179.73 1k4i h ARG 162 N 0.59 0.16 -0.09 0.00 2.43 -0.72 0.69 114.38 117.44 1k4i h ARG 162 Ca 0.16 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1k4i h ARG 162 Cb -0.07 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1k4i h ARG 162 CO -0.04 0.17 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.42 1k4i h LEU 163 N 0.12 0.13 -1.34 3.80 3.38 -0.59 -2.32 115.31 118.49 1k4i h LEU 163 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1k4i h LEU 163 Cb 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1k4i h LEU 163 CO -0.01 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1k4i n ALA 164 N -2.50 2.53 -2.14 1.53 0.00 0.13 -4.95 120.51 115.10 1k4i n ALA 164 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1k4i n ALA 164 Cb 0.22 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 1k4i n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k4i n GLY 165 N 1.24 0.02 4.00 0.00 0.00 -0.72 -4.74 105.19 104.99 1k4i n GLY 165 Ca 0.17 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1k4i n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4i s LYS 166 N -4.41 2.57 0.66 1.61 -0.14 0.16 -5.04 119.74 115.15 1k4i s LYS 166 Ca 0.00 -1.15 -0.17 0.00 -1.36 0.00 0.00 55.97 53.28 1k4i s LYS 166 Cb 0.00 -2.63 -0.00 0.00 -1.68 0.00 0.00 37.83 33.52 1k4i s LYS 166 CO 0.00 -0.58 1.24 1.03 -0.76 0.00 0.00 175.35 176.27 1k4i s ARG 167 N -4.58 2.55 0.00 1.68 1.81 -1.26 -4.58 118.95 114.56 1k4i s ARG 167 Ca 0.58 1.89 -0.03 0.00 -1.72 0.00 0.00 55.73 56.44 1k4i s ARG 167 Cb -0.09 -1.87 -0.13 0.00 -0.45 0.00 0.00 34.95 32.41 1k4i s ARG 167 CO 0.36 -1.55 2.67 -0.35 -0.68 0.00 0.00 175.30 175.75 1k4i n PRO 168 N -2.08 1.41 -3.73 3.54 -0.04 -1.26 -4.72 135.00 128.12 1k4i n PRO 168 Ca 0.14 -0.48 -0.16 0.00 -0.04 0.00 0.00 63.50 62.97 1k4i n PRO 168 Cb 0.49 -1.51 -0.16 0.00 -0.04 0.00 0.00 33.50 32.28 1k4i n PRO 168 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k4i s VAL 169 N 0.64 -0.10 0.54 0.52 1.01 -1.26 -3.43 120.40 118.31 1k4i s VAL 169 Ca 0.32 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1k4i s VAL 169 Cb 0.15 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.37 1k4i s VAL 169 CO 0.00 0.11 0.22 0.00 0.00 0.00 0.00 175.10 175.43 1k4i s ALA 170 N 1.54 4.33 -0.04 5.51 0.00 0.11 -1.41 121.76 131.79 1k4i s ALA 170 Ca -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1k4i s ALA 170 Cb -0.12 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1k4i s ALA 170 CO -0.04 -0.25 -0.06 0.08 0.00 0.00 0.00 175.76 175.48 1k4i s VAL 171 N -2.83 0.64 0.05 0.00 1.01 0.12 -2.81 120.40 116.57 1k4i s VAL 171 Ca 0.19 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1k4i s VAL 171 Cb -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1k4i s VAL 171 CO 0.12 0.24 -0.05 0.27 0.00 0.00 0.00 175.10 175.68 1k4i s ILE 172 N 0.76 0.39 -0.06 2.22 -4.36 0.13 -1.49 121.20 118.80 1k4i s ILE 172 Ca -0.11 -1.30 -0.31 0.00 -0.26 0.00 0.00 60.65 58.67 1k4i s ILE 172 Cb -0.14 -0.84 0.08 0.00 1.25 0.00 0.00 42.46 42.80 1k4i s ILE 172 CO 0.01 -0.60 0.71 -0.55 0.24 0.00 0.00 174.94 174.75 1k4i s SER 173 N -2.02 -0.63 0.23 4.36 0.15 -0.96 -1.28 113.70 113.55 1k4i s SER 173 Ca -0.05 0.68 -0.30 0.00 0.70 0.00 0.00 55.95 56.98 1k4i s SER 173 Cb -0.04 0.51 -0.09 0.00 -1.71 0.00 0.00 66.02 64.69 1k4i s SER 173 CO -0.03 -0.58 1.04 -1.61 1.20 0.00 0.00 173.24 173.26 1k4i s GLU 174 N -1.20 4.71 -0.41 5.44 8.01 -1.26 -1.13 118.70 132.86 1k4i s GLU 174 Ca -0.10 1.65 -0.26 0.00 0.01 0.00 0.00 54.97 56.28 1k4i s GLU 174 Cb -0.00 -3.25 0.02 0.00 -4.31 0.00 0.00 34.13 26.58 1k4i s GLU 174 CO 0.09 0.28 0.94 0.42 0.01 0.00 0.00 175.26 177.00 1k4i s ILE 175 N -0.86 4.53 0.53 -1.63 1.01 0.13 -0.97 121.20 123.93 1k4i s ILE 175 Ca 0.45 1.04 -0.01 0.00 0.00 0.00 0.00 60.65 62.13 1k4i s ILE 175 Cb -0.29 -4.38 0.02 0.00 0.01 0.00 0.00 42.46 37.82 1k4i s ILE 175 CO 0.36 -0.66 0.77 0.68 0.00 0.00 0.00 174.94 176.08 1k4i s VAL 176 N 3.62 3.35 -0.41 2.92 -7.23 -1.23 -2.34 120.40 119.08 1k4i s VAL 176 Ca 0.38 -0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 59.97 1k4i s VAL 176 Cb -0.11 -3.27 0.05 0.00 0.56 0.00 0.00 36.38 33.61 1k4i s VAL 176 CO 0.22 -0.21 0.28 -0.62 -0.31 0.00 0.00 175.10 174.45 1k4i s ASP 177 N -4.33 5.85 0.00 4.85 -1.08 0.02 -4.32 116.67 117.66 1k4i s ASP 177 Ca 0.53 -1.19 0.23 0.00 -0.52 0.00 0.00 52.55 51.60 1k4i s ASP 177 Cb -0.10 -2.07 1.36 0.00 -1.46 0.00 0.00 42.92 40.65 1k4i s ASP 177 CO 0.40 -0.49 1.79 -0.90 0.52 0.00 0.00 175.17 176.48 1k4i n ASP 178 N 5.04 0.00 0.00 -0.34 5.68 -1.26 -1.14 116.55 124.53 1k4i n ASP 178 Ca -0.11 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 1k4i n ASP 178 Cb 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1k4i n ASP 178 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k4i n GLY 179 N 0.65 -0.55 3.56 6.12 0.00 -1.26 -4.68 105.19 109.03 1k4i n GLY 179 Ca 0.17 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 1k4i n GLY 179 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k4i s GLN 180 N 0.00 2.34 0.56 1.61 1.11 0.25 -4.87 119.66 120.65 1k4i s GLN 180 Ca 0.00 -0.86 -0.20 0.00 0.01 0.00 0.00 55.36 54.31 1k4i s GLN 180 Cb 0.00 -2.38 -0.05 0.00 -1.01 0.00 0.00 33.01 29.58 1k4i s GLN 180 CO 0.00 0.56 1.21 -2.00 0.01 0.00 0.00 175.29 175.08 1k4i s GLU 181 N -1.61 3.17 -0.22 2.91 2.12 -1.26 -0.96 118.70 122.86 1k4i s GLU 181 Ca 0.18 1.85 0.01 0.00 0.36 0.00 0.00 54.97 57.36 1k4i s GLU 181 Cb -0.11 -2.06 0.05 0.00 0.26 0.00 0.00 34.13 32.27 1k4i s GLU 181 CO 0.08 -1.05 -0.07 0.08 -0.54 0.00 0.00 175.26 173.76 1k4i s VAL 182 N -1.57 1.56 0.03 3.70 1.01 -1.25 -4.82 120.40 119.07 1k4i s VAL 182 Ca 0.74 -1.13 -0.36 0.00 0.00 0.00 0.00 61.98 61.23 1k4i s VAL 182 Cb -0.31 -1.76 -0.14 0.00 0.00 0.00 0.00 36.38 34.17 1k4i s VAL 182 CO 0.34 0.00 1.59 1.21 0.00 0.00 0.00 175.10 178.25 1k4i n GLU 183 N 4.68 1.73 -0.96 2.72 4.07 -1.26 -1.77 120.64 129.85 1k4i n GLU 183 Ca -0.13 0.63 0.00 0.00 -0.06 0.00 0.00 57.16 57.60 1k4i n GLU 183 Cb 0.45 -2.36 0.00 0.00 -0.06 0.00 0.00 31.44 29.46 1k4i n GLU 183 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k4i n GLY 184 N 3.46 0.30 3.13 8.31 0.00 -1.26 -5.00 105.19 114.14 1k4i n GLY 184 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1k4i n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k4i s ARG 185 N -0.89 1.40 -1.43 1.61 1.81 -0.73 -5.04 118.95 115.67 1k4i s ARG 185 Ca 0.00 -0.57 -0.08 0.00 -1.72 0.00 0.00 55.73 53.36 1k4i s ARG 185 Cb 0.00 -1.32 -0.03 0.00 -0.45 0.00 0.00 34.95 33.15 1k4i s ARG 185 CO 0.00 0.31 2.82 0.00 -0.68 0.00 0.00 175.30 177.76 1k4i n ALA 186 N 2.82 7.28 -2.63 2.13 0.00 -1.26 -4.56 120.51 124.29 1k4i n ALA 186 Ca -0.16 -3.60 -0.09 0.00 0.00 0.00 0.00 53.44 49.59 1k4i n ALA 186 Cb 0.54 -3.12 -0.07 0.00 0.00 0.00 0.00 19.45 16.80 1k4i n ALA 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k4i s VAL 187 N 1.02 0.12 -0.05 0.00 -7.23 -1.26 -5.16 120.40 107.84 1k4i s VAL 187 Ca 0.65 -1.18 0.03 0.00 -1.81 0.00 0.00 61.98 59.67 1k4i s VAL 187 Cb 0.19 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.69 1k4i s VAL 187 CO -0.07 -0.53 -0.14 -0.13 -0.31 0.00 0.00 175.10 173.92 1k4i s ARG 188 N -3.88 1.68 0.20 4.82 1.81 -1.26 -3.97 118.95 118.35 1k4i s ARG 188 Ca 0.08 -0.48 -0.21 0.00 -1.72 0.00 0.00 55.73 53.40 1k4i s ARG 188 Cb 0.04 -1.42 -0.08 0.00 -0.45 0.00 0.00 34.95 33.04 1k4i s ARG 188 CO -0.08 0.12 0.73 0.00 -0.68 0.00 0.00 175.30 175.38 1k4i s ALA 189 N 0.37 3.43 -1.25 2.13 0.00 -0.13 -4.36 121.76 121.95 1k4i s ALA 189 Ca -0.10 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.97 1k4i s ALA 189 Cb -0.13 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1k4i s ALA 189 CO 0.03 0.32 0.65 0.00 0.00 0.00 0.00 175.76 176.77 1k4i n ALA 190 N 0.98 -2.28 -1.92 0.00 0.00 -1.26 -0.59 120.51 115.44 1k4i n ALA 190 Ca -0.04 -0.23 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 1k4i n ALA 190 Cb 0.50 -2.90 0.13 0.00 0.00 0.00 0.00 19.45 17.18 1k4i n ALA 190 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1k4i s PRO 191 N -6.14 1.43 0.00 0.00 0.04 -1.26 -4.23 135.00 124.83 1k4i s PRO 191 Ca 0.24 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1k4i s PRO 191 Cb -0.08 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1k4i s PRO 191 CO 0.86 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1k4i n GLY 192 N -3.43 -0.88 3.35 0.56 0.00 -0.29 -4.89 105.19 99.60 1k4i n GLY 192 Ca 0.11 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1k4i n GLY 192 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k4i s MET 193 N -0.29 1.53 0.25 1.61 -1.94 -1.26 -0.80 119.30 118.41 1k4i s MET 193 Ca 0.00 -1.20 -0.30 0.00 -1.71 0.00 0.00 55.69 52.48 1k4i s MET 193 Cb 0.00 -1.85 -0.09 0.00 2.01 0.00 0.00 34.83 34.90 1k4i s MET 193 CO 0.00 0.46 1.08 -1.17 -0.01 0.00 0.00 175.02 175.38 1k4i s LEU 194 N -1.65 4.55 0.12 -0.03 2.96 -0.99 -4.53 118.68 119.12 1k4i s LEU 194 Ca 0.12 2.19 0.05 0.00 -0.22 0.00 0.00 54.13 56.27 1k4i s LEU 194 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1k4i s LEU 194 CO 0.04 -0.12 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.70 1k4i s ARG 195 N -1.18 0.99 0.00 1.98 1.81 -1.26 -4.28 118.95 117.01 1k4i s ARG 195 Ca 0.45 -1.29 0.00 0.00 -1.72 0.00 0.00 55.73 53.17 1k4i s ARG 195 Cb -0.31 -0.71 0.00 0.00 -0.45 0.00 0.00 34.95 33.49 1k4i s ARG 195 CO 0.39 0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.53 1k4i n GLY 196 N 0.28 0.88 0.32 -3.53 0.00 -1.26 -0.59 105.19 101.28 1k4i n GLY 196 Ca -0.14 0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.34 1k4i n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k4i h ASP 197 N 0.00 0.18 0.44 1.61 3.32 -2.00 -0.08 116.42 119.89 1k4i h ASP 197 Ca 0.00 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1k4i h ASP 197 Cb 0.00 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1k4i h ASP 197 CO 0.00 0.12 -0.44 1.05 -1.72 0.00 0.00 179.24 178.25 1k4i h GLU 198 N 0.21 0.01 -0.20 3.56 4.11 -1.25 -0.54 114.58 120.47 1k4i h GLU 198 Ca 0.14 -0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.41 1k4i h GLU 198 Cb 0.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1k4i h GLU 198 CO -0.03 0.45 -0.55 0.00 0.07 0.00 0.00 179.01 178.96 1k4i h VAL 200 N 0.47 1.26 -0.64 0.00 2.07 -1.14 -1.72 116.25 116.55 1k4i h VAL 200 Ca 0.01 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1k4i h VAL 200 Cb 1.10 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1k4i h VAL 200 CO 0.11 0.37 0.26 0.00 0.02 0.00 0.00 177.57 178.33 1k4i h ALA 201 N 0.91 1.24 -0.34 1.67 0.00 -0.89 -0.59 119.26 121.26 1k4i h ALA 201 Ca 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k4i h ALA 201 Cb 0.53 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1k4i h ALA 201 CO 0.03 0.56 0.20 0.35 0.00 0.00 0.00 179.25 180.38 1k4i h PHE 202 N 0.93 0.46 -0.47 0.00 3.57 -0.83 -1.04 116.94 119.55 1k4i h PHE 202 Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1k4i h PHE 202 Cb 0.18 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1k4i h PHE 202 CO 0.01 0.34 0.28 0.00 -2.23 0.00 0.00 178.31 176.72 1k4i h ALA 203 N 1.08 0.59 -0.77 2.41 0.00 -0.70 -2.52 119.26 119.34 1k4i h ALA 203 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1k4i h ALA 203 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1k4i h ALA 203 CO -0.02 -0.03 0.27 0.00 0.00 0.00 0.00 179.25 179.47 1k4i h ARG 204 N 0.56 1.18 -0.22 0.00 2.47 -0.83 0.40 114.38 117.94 1k4i h ARG 204 Ca 0.18 -0.24 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1k4i h ARG 204 Cb 0.01 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 1k4i h ARG 204 CO -0.08 0.98 0.12 -0.09 0.56 0.00 0.00 179.97 181.46 1k4i h ARG 205 N 1.13 0.29 -0.59 0.04 2.43 -0.79 -2.85 114.38 114.04 1k4i h ARG 205 Ca 0.25 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1k4i h ARG 205 Cb 0.27 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1k4i h ARG 205 CO -0.01 0.22 0.00 0.91 -1.51 0.00 0.00 179.97 179.57 1k4i n TRP 206 N -4.48 0.93 -2.41 2.20 7.02 -0.99 -4.97 117.44 114.74 1k4i n TRP 206 Ca 0.00 -0.54 -0.12 0.00 -1.02 0.00 0.00 57.50 55.82 1k4i n TRP 206 Cb 0.09 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 1k4i n TRP 206 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k4i n GLY 207 N 1.12 -0.08 3.66 6.99 0.00 -0.79 -5.02 105.19 111.08 1k4i n GLY 207 Ca 0.21 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1k4i n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k4i s LEU 208 N -3.69 3.32 0.48 0.99 1.43 0.06 -5.03 118.68 116.23 1k4i s LEU 208 Ca 0.07 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 1k4i s LEU 208 Cb -0.03 -1.98 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 1k4i s LEU 208 CO 0.08 0.09 0.92 -0.54 0.23 0.00 0.00 176.35 177.14 1k4i s LYS 209 N -2.90 3.91 -0.00 1.70 -0.14 -1.26 -4.34 119.74 116.71 1k4i s LYS 209 Ca 0.27 0.82 0.00 0.00 -1.36 0.00 0.00 55.97 55.70 1k4i s LYS 209 Cb -0.09 -2.21 0.00 0.00 -1.68 0.00 0.00 37.83 33.84 1k4i s LYS 209 CO 0.18 -0.19 -0.00 0.54 -0.76 0.00 0.00 175.35 175.12 1k4i s VAL 210 N -2.53 0.03 0.36 3.17 0.11 -1.26 -0.98 120.40 119.29 1k4i s VAL 210 Ca 0.57 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.51 1k4i s VAL 210 Cb -0.10 -0.04 0.03 0.00 -1.53 0.00 0.00 36.38 34.74 1k4i s VAL 210 CO 0.30 0.01 0.63 0.00 -3.33 0.00 0.00 175.10 172.72 1k4i s THR 212 N -2.76 3.36 0.37 0.00 -4.23 -1.26 -0.99 115.64 110.12 1k4i s THR 212 Ca 0.23 -1.39 0.07 0.00 -1.18 0.00 0.00 61.69 59.41 1k4i s THR 212 Cb -0.03 -2.61 0.19 0.00 1.34 0.00 0.00 72.50 71.39 1k4i s THR 212 CO 0.15 0.03 1.93 0.40 -0.54 0.00 0.00 174.62 176.60 1k4i h ILE 213 N 3.04 1.17 -0.48 2.99 2.04 -1.36 -1.42 117.51 123.48 1k4i h ILE 213 Ca -0.48 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 64.80 1k4i h ILE 213 Cb 1.18 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1k4i h ILE 213 CO 0.53 0.22 0.24 -0.08 0.00 0.00 0.00 178.15 179.06 1k4i h GLU 214 N 0.43 0.45 -0.10 2.37 4.81 -1.94 0.12 114.58 120.72 1k4i h GLU 214 Ca 0.10 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1k4i h GLU 214 Cb 0.24 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1k4i h GLU 214 CO 0.00 0.30 -0.41 -0.44 -0.73 0.00 0.00 179.01 177.74 1k4i h ASP 215 N 0.47 0.23 -0.58 1.04 3.32 -1.81 -1.50 116.42 117.58 1k4i h ASP 215 Ca 0.21 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1k4i h ASP 215 Cb 0.13 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1k4i h ASP 215 CO -0.16 0.61 0.12 -0.03 -1.72 0.00 0.00 179.24 178.07 1k4i h MET 216 N 0.18 0.94 -0.59 3.56 4.05 -0.26 -0.38 114.93 122.44 1k4i h MET 216 Ca 0.02 -0.24 -0.02 0.00 -0.28 0.00 0.00 59.70 59.17 1k4i h MET 216 Cb 0.80 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.46 1k4i h MET 216 CO 0.06 0.88 0.27 0.82 0.23 0.00 0.00 176.91 179.18 1k4i h ILE 217 N 0.85 1.21 -0.99 1.77 2.04 -0.55 -1.51 117.51 120.33 1k4i h ILE 217 Ca 0.18 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.47 1k4i h ILE 217 Cb 0.38 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1k4i h ILE 217 CO 0.01 0.25 0.64 0.00 0.00 0.00 0.00 178.15 179.05 1k4i h ALA 218 N 1.11 1.34 0.05 1.87 0.00 -0.90 0.62 119.26 123.35 1k4i h ALA 218 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k4i h ALA 218 Cb 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1k4i h ALA 218 CO -0.02 0.49 -0.03 1.25 0.00 0.00 0.00 179.25 180.94 1k4i h HIS 219 N 1.21 -0.06 -0.86 0.00 -0.00 -0.52 -2.85 115.15 112.07 1k4i h HIS 219 Ca 0.41 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.78 1k4i h HIS 219 Cb 0.08 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.47 1k4i h HIS 219 CO -0.00 0.06 0.54 0.28 -0.00 0.00 0.00 177.93 178.80 1k4i h VAL 220 N -0.18 1.23 0.00 5.26 2.07 -0.83 -1.78 116.25 122.03 1k4i h VAL 220 Ca -0.01 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1k4i h VAL 220 Cb 0.15 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1k4i h VAL 220 CO 0.01 0.24 -0.01 -0.33 0.02 0.00 0.00 177.57 177.50 1k4i h GLU 221 N 1.18 0.00 -0.37 1.57 5.08 -0.67 -0.25 114.58 121.12 1k4i h GLU 221 Ca 0.31 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1k4i h GLU 221 Cb -0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1k4i h GLU 221 CO -0.06 0.01 0.25 0.87 -1.00 0.00 0.00 179.01 179.08 1k4i h LYS 222 N 0.00 0.39 0.02 2.33 1.57 -1.10 0.19 116.57 119.98 1k4i h LYS 222 Ca -0.00 -0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 58.38 1k4i h LYS 222 Cb 0.03 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 1k4i h LYS 222 CO 0.00 0.26 -2.32 2.41 -0.57 0.00 0.00 179.45 179.23 1k4i n THR 223 N -4.48 1.52 0.86 -0.16 -1.04 -0.65 -4.69 114.28 105.64 1k4i n THR 223 Ca 0.03 -0.67 0.09 0.00 -2.04 0.00 0.00 64.05 61.46 1k4i n THR 223 Cb 0.14 -1.20 -0.11 0.00 -1.82 0.00 0.00 70.33 67.35 1k4i n THR 223 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1k4i n GLU 224 N -3.15 0.90 -0.28 -2.82 -0.58 -0.20 -5.11 120.64 109.41 1k4i n GLU 224 Ca -0.38 -0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.39 1k4i n GLU 224 Cb 1.05 -1.37 -0.01 0.00 -0.57 0.00 0.00 31.44 30.53 1k4i n GLU 224 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k4i n GLY 225 N 1.44 -1.89 3.75 0.62 0.00 0.67 -4.82 105.19 104.96 1k4i n GLY 225 Ca 0.03 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 1k4i n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4i s LYS 226 N -1.96 4.60 0.00 1.61 1.02 -1.26 -4.51 119.74 119.23 1k4i s LYS 226 Ca 0.00 1.81 0.08 0.00 0.02 0.00 0.00 55.97 57.88 1k4i s LYS 226 Cb 0.00 -3.21 0.48 0.00 -0.52 0.00 0.00 37.83 34.59 1k4i s LYS 226 CO 0.00 0.13 0.94 -0.11 -0.92 0.00 0.00 175.35 175.39